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NGYF

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NGYF = [integer]
Default: NGYF = set in accordance with PREC, NGY, ENCUT and ENAUG 

Description: NGYF sets the number of grid points in the "fine" FFT-grid along the second lattice vector.


On this "fine" FFT mesh the localized augmentation charges are represented if ultrasoft pseudopotentials (USPPs) or the PAW method are used. In case USPPs are used, the local potentials (exchange-correlation, Hartree-potential and ionic potentials) are also calculated on this "fine" FFT-mesh.

By default NGYF is set in accordance with the requested "precision"-mode (PREC), NGY, and the plane wave kinetic energy cutoffs ENCUT and ENAUG:

PREC NGY NGYF
Normal 3/2×Gcut NGY
Single 3/2×Gcut NGY
Accurate 2×Gcut NGY
Low 3/2×Gcut 3×Gaug
Medium 3/2×Gcut 4×Gaug
High 2×Gcut 16/3×Gaug

where

with Ecut=ENCUT and Eaug=ENAUG.

Alternatively NGYF may be set to a specific value in the INCAR file.

Related Tags and Sections

NGX, NGY, NGZ, NGXF, NGZF, PREC, ENCUT, ENAUG, ENMAX

Examples that use this tag


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